USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 14 ASN : amide:sc= -14! C(o=-21!,f=-32!) USER MOD Set 1.2: B 17 THR OG1 : rot 164:sc= -6.56! USER MOD Set 2.1: A 14 ASN : amide:sc= -16.3! C(o=-20!,f=-33!) USER MOD Set 2.2: A 17 THR OG1 : rot 160:sc= -3.46! USER MOD Set 3.1: A 12 TYR OH : rot 0:sc= -1.18 USER MOD Set 3.2: B 8 LYS NZ :NH3+ 158:sc= -0.0165 (180deg=-0.3) USER MOD Set 4.1: A 10 CYS SG : rot 104:sc= -16.2! USER MOD Set 4.2: B 10 CYS SG : rot -61:sc= -7.71! USER MOD Single : A 1 LYS N :NH3+ 173:sc= -0.0382 (180deg=-0.0592) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.255 (180deg=-1.22) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -2.54! C(o=-5.5!,f=-2.5!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : B 1 LYS N :NH3+ 127:sc= -0.061 (180deg=-0.598) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 TYR OH : rot -165:sc= -0.582 USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN :FLIP amide:sc= -3.47! C(o=-6.2!,f=-3.5!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 5.565 4.773 -17.058 1.00 0.00 N ATOM 2 CA LYS A 1 5.322 3.709 -16.043 1.00 0.00 C ATOM 3 C LYS A 1 6.468 3.622 -15.035 1.00 0.00 C ATOM 4 O LYS A 1 7.542 4.187 -15.251 1.00 0.00 O ATOM 5 CB LYS A 1 5.144 2.365 -16.762 1.00 0.00 C ATOM 6 CG LYS A 1 6.347 1.941 -17.593 1.00 0.00 C ATOM 7 CD LYS A 1 6.128 2.211 -19.074 1.00 0.00 C ATOM 8 CE LYS A 1 7.406 2.043 -19.869 1.00 0.00 C ATOM 9 NZ LYS A 1 7.406 0.790 -20.675 1.00 0.00 N ATOM 0 H1 LYS A 1 4.830 4.727 -17.792 1.00 0.00 H new ATOM 0 H2 LYS A 1 5.536 5.705 -16.598 1.00 0.00 H new ATOM 0 H3 LYS A 1 6.499 4.631 -17.493 1.00 0.00 H new ATOM 0 HA LYS A 1 4.418 3.957 -15.487 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.938 1.593 -16.021 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.270 2.425 -17.411 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.233 2.477 -17.252 1.00 0.00 H new ATOM 0 HG3 LYS A 1 6.539 0.879 -17.441 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.368 1.531 -19.459 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.747 3.224 -19.207 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.535 2.899 -20.531 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.257 2.035 -19.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.299 0.717 -21.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 7.309 -0.030 -20.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 6.610 0.807 -21.344 1.00 0.00 H new ATOM 25 N LEU A 2 6.225 2.911 -13.932 1.00 0.00 N ATOM 26 CA LEU A 2 7.211 2.738 -12.878 1.00 0.00 C ATOM 27 C LEU A 2 8.596 2.338 -13.371 1.00 0.00 C ATOM 28 O LEU A 2 8.755 1.630 -14.368 1.00 0.00 O ATOM 29 CB LEU A 2 6.761 1.642 -11.952 1.00 0.00 C ATOM 30 CG LEU A 2 5.713 2.004 -10.919 1.00 0.00 C ATOM 31 CD1 LEU A 2 5.343 0.752 -10.180 1.00 0.00 C ATOM 32 CD2 LEU A 2 6.224 3.040 -9.941 1.00 0.00 C ATOM 0 H LEU A 2 5.338 2.442 -13.750 1.00 0.00 H new ATOM 0 HA LEU A 2 7.287 3.712 -12.395 1.00 0.00 H new ATOM 0 HB2 LEU A 2 6.371 0.824 -12.558 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.637 1.260 -11.427 1.00 0.00 H new ATOM 0 HG LEU A 2 4.848 2.434 -11.424 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.588 0.983 -9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.944 0.020 -10.882 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.228 0.342 -9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.443 3.273 -9.217 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.098 2.649 -9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.499 3.946 -10.481 1.00 0.00 H new ATOM 44 N PRO A 3 9.604 2.734 -12.586 1.00 0.00 N ATOM 45 CA PRO A 3 11.010 2.392 -12.796 1.00 0.00 C ATOM 46 C PRO A 3 11.247 0.936 -12.481 1.00 0.00 C ATOM 47 O PRO A 3 10.442 0.296 -11.804 1.00 0.00 O ATOM 48 CB PRO A 3 11.768 3.253 -11.797 1.00 0.00 C ATOM 49 CG PRO A 3 10.753 4.194 -11.275 1.00 0.00 C ATOM 50 CD PRO A 3 9.439 3.494 -11.365 1.00 0.00 C ATOM 0 HA PRO A 3 11.323 2.561 -13.826 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.198 2.649 -10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 3 12.592 3.783 -12.274 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.975 4.471 -10.244 1.00 0.00 H new ATOM 0 HG3 PRO A 3 10.742 5.115 -11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.256 2.852 -10.503 1.00 0.00 H new ATOM 0 HD3 PRO A 3 8.605 4.193 -11.426 1.00 0.00 H new ATOM 58 N PRO A 4 12.345 0.392 -12.970 1.00 0.00 N ATOM 59 CA PRO A 4 12.713 -0.991 -12.759 1.00 0.00 C ATOM 60 C PRO A 4 12.612 -1.452 -11.336 1.00 0.00 C ATOM 61 O PRO A 4 12.878 -0.712 -10.385 1.00 0.00 O ATOM 62 CB PRO A 4 14.106 -1.009 -13.263 1.00 0.00 C ATOM 63 CG PRO A 4 14.031 -0.077 -14.377 1.00 0.00 C ATOM 64 CD PRO A 4 13.346 1.062 -13.796 1.00 0.00 C ATOM 0 HA PRO A 4 12.039 -1.684 -13.263 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.819 -0.684 -12.505 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.412 -2.005 -13.583 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.020 0.192 -14.747 1.00 0.00 H new ATOM 0 HG3 PRO A 4 13.479 -0.495 -15.218 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.015 1.689 -13.206 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.894 1.702 -14.554 1.00 0.00 H new ATOM 72 N GLY A 5 12.214 -2.701 -11.223 1.00 0.00 N ATOM 73 CA GLY A 5 12.049 -3.326 -9.944 1.00 0.00 C ATOM 74 C GLY A 5 10.884 -2.786 -9.112 1.00 0.00 C ATOM 75 O GLY A 5 10.547 -3.378 -8.091 1.00 0.00 O ATOM 0 H GLY A 5 11.998 -3.304 -12.017 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.905 -4.396 -10.094 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.971 -3.205 -9.375 1.00 0.00 H new ATOM 79 N TRP A 6 10.268 -1.667 -9.520 1.00 0.00 N ATOM 80 CA TRP A 6 9.166 -1.088 -8.762 1.00 0.00 C ATOM 81 C TRP A 6 7.833 -1.734 -9.096 1.00 0.00 C ATOM 82 O TRP A 6 7.591 -2.162 -10.226 1.00 0.00 O ATOM 83 CB TRP A 6 9.026 0.398 -9.072 1.00 0.00 C ATOM 84 CG TRP A 6 9.847 1.327 -8.274 1.00 0.00 C ATOM 85 CD1 TRP A 6 10.740 2.179 -8.777 1.00 0.00 C ATOM 86 CD2 TRP A 6 9.828 1.541 -6.881 1.00 0.00 C ATOM 87 NE1 TRP A 6 11.320 2.911 -7.783 1.00 0.00 N ATOM 88 CE2 TRP A 6 10.770 2.532 -6.595 1.00 0.00 C ATOM 89 CE3 TRP A 6 9.119 0.990 -5.852 1.00 0.00 C ATOM 90 CZ2 TRP A 6 10.996 2.969 -5.298 1.00 0.00 C ATOM 91 CZ3 TRP A 6 9.349 1.417 -4.586 1.00 0.00 C ATOM 92 CH2 TRP A 6 10.264 2.380 -4.316 1.00 0.00 C ATOM 0 H TRP A 6 10.517 -1.153 -10.365 1.00 0.00 H new ATOM 0 HA TRP A 6 9.404 -1.257 -7.712 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.268 0.549 -10.124 1.00 0.00 H new ATOM 0 HB3 TRP A 6 7.979 0.674 -8.943 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.972 2.276 -9.827 1.00 0.00 H new ATOM 0 HE1 TRP A 6 12.042 3.621 -7.907 1.00 0.00 H new ATOM 0 HE3 TRP A 6 8.384 0.223 -6.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.719 3.741 -5.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.789 0.979 -3.773 1.00 0.00 H new ATOM 0 HH2 TRP A 6 10.416 2.688 -3.292 1.00 0.00 H new ATOM 103 N GLU A 7 6.956 -1.728 -8.109 1.00 0.00 N ATOM 104 CA GLU A 7 5.603 -2.234 -8.261 1.00 0.00 C ATOM 105 C GLU A 7 4.720 -1.619 -7.187 1.00 0.00 C ATOM 106 O GLU A 7 5.007 -1.730 -5.992 1.00 0.00 O ATOM 107 CB GLU A 7 5.550 -3.770 -8.210 1.00 0.00 C ATOM 108 CG GLU A 7 6.277 -4.393 -7.020 1.00 0.00 C ATOM 109 CD GLU A 7 7.722 -4.769 -7.321 1.00 0.00 C ATOM 110 OE1 GLU A 7 8.082 -4.885 -8.513 1.00 0.00 O ATOM 111 OE2 GLU A 7 8.494 -4.957 -6.358 1.00 0.00 O ATOM 0 H GLU A 7 7.162 -1.371 -7.176 1.00 0.00 H new ATOM 0 HA GLU A 7 5.234 -1.947 -9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.506 -4.084 -8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.981 -4.166 -9.130 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.258 -3.692 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.737 -5.284 -6.700 1.00 0.00 H new ATOM 118 N LYS A 8 3.659 -0.943 -7.619 1.00 0.00 N ATOM 119 CA LYS A 8 2.756 -0.283 -6.691 1.00 0.00 C ATOM 120 C LYS A 8 1.867 -1.317 -5.993 1.00 0.00 C ATOM 121 O LYS A 8 1.193 -2.113 -6.651 1.00 0.00 O ATOM 122 CB LYS A 8 1.863 0.751 -7.431 1.00 0.00 C ATOM 123 CG LYS A 8 1.124 1.699 -6.486 1.00 0.00 C ATOM 124 CD LYS A 8 -0.353 1.348 -6.386 1.00 0.00 C ATOM 125 CE LYS A 8 -1.141 1.895 -7.568 1.00 0.00 C ATOM 126 NZ LYS A 8 -1.239 0.909 -8.682 1.00 0.00 N ATOM 0 H LYS A 8 3.407 -0.840 -8.602 1.00 0.00 H new ATOM 0 HA LYS A 8 3.358 0.240 -5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.483 1.336 -8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.135 0.219 -8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.578 1.654 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.232 2.724 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.468 0.265 -6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.761 1.750 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.143 2.170 -7.239 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.664 2.805 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.111 1.081 -9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.417 1.012 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.258 -0.055 -8.292 1.00 0.00 H new ATOM 140 N ARG A 9 1.865 -1.291 -4.663 1.00 0.00 N ATOM 141 CA ARG A 9 1.054 -2.218 -3.872 1.00 0.00 C ATOM 142 C ARG A 9 0.339 -1.470 -2.751 1.00 0.00 C ATOM 143 O ARG A 9 0.957 -0.672 -2.044 1.00 0.00 O ATOM 144 CB ARG A 9 1.929 -3.329 -3.287 1.00 0.00 C ATOM 145 CG ARG A 9 1.177 -4.630 -3.047 1.00 0.00 C ATOM 146 CD ARG A 9 2.100 -5.839 -3.114 1.00 0.00 C ATOM 147 NE ARG A 9 2.869 -5.886 -4.314 1.00 0.00 N ATOM 148 CZ ARG A 9 2.427 -6.380 -5.451 1.00 0.00 C ATOM 149 NH1 ARG A 9 1.139 -6.649 -5.652 1.00 0.00 N ATOM 150 NH2 ARG A 9 3.305 -6.591 -6.377 1.00 0.00 N ATOM 0 H ARG A 9 2.417 -0.637 -4.107 1.00 0.00 H new ATOM 0 HA ARG A 9 0.308 -2.669 -4.526 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.762 -3.519 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.356 -2.986 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.694 -4.595 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.386 -4.735 -3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.774 -5.823 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.505 -6.749 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 9 3.819 -5.514 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.460 -6.473 -4.912 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.831 -7.031 -6.546 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.287 -6.376 -6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.015 -6.973 -7.277 1.00 0.00 H new ATOM 164 N CYS A 10 -0.965 -1.712 -2.597 1.00 0.00 N ATOM 165 CA CYS A 10 -1.732 -1.024 -1.560 1.00 0.00 C ATOM 166 C CYS A 10 -2.633 -1.955 -0.763 1.00 0.00 C ATOM 167 O CYS A 10 -3.645 -2.446 -1.270 1.00 0.00 O ATOM 168 CB CYS A 10 -2.581 0.094 -2.177 1.00 0.00 C ATOM 169 SG CYS A 10 -3.580 1.025 -0.974 1.00 0.00 S ATOM 0 H CYS A 10 -1.502 -2.366 -3.166 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.000 -0.608 -0.868 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.923 0.788 -2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.245 -0.340 -2.925 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.032 2.184 -0.760 1.00 0.00 H new ATOM 174 N PHE A 11 -2.284 -2.144 0.509 1.00 0.00 N ATOM 175 CA PHE A 11 -3.086 -2.958 1.407 1.00 0.00 C ATOM 176 C PHE A 11 -3.698 -2.062 2.484 1.00 0.00 C ATOM 177 O PHE A 11 -3.003 -1.249 3.096 1.00 0.00 O ATOM 178 CB PHE A 11 -2.265 -4.083 2.071 1.00 0.00 C ATOM 179 CG PHE A 11 -1.302 -3.605 3.122 1.00 0.00 C ATOM 180 CD1 PHE A 11 -1.758 -3.302 4.395 1.00 0.00 C ATOM 181 CD2 PHE A 11 0.047 -3.467 2.846 1.00 0.00 C ATOM 182 CE1 PHE A 11 -0.886 -2.866 5.373 1.00 0.00 C ATOM 183 CE2 PHE A 11 0.926 -3.033 3.821 1.00 0.00 C ATOM 184 CZ PHE A 11 0.458 -2.733 5.086 1.00 0.00 C ATOM 0 H PHE A 11 -1.450 -1.742 0.936 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.868 -3.435 0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.951 -4.800 2.522 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.709 -4.615 1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.808 -3.408 4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.417 -3.701 1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.255 -2.630 6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.977 -2.929 3.594 1.00 0.00 H new ATOM 0 HZ PHE A 11 1.143 -2.395 5.850 1.00 0.00 H new ATOM 194 N TYR A 12 -4.984 -2.231 2.729 1.00 0.00 N ATOM 195 CA TYR A 12 -5.671 -1.471 3.756 1.00 0.00 C ATOM 196 C TYR A 12 -5.333 -2.077 5.106 1.00 0.00 C ATOM 197 O TYR A 12 -5.184 -3.294 5.209 1.00 0.00 O ATOM 198 CB TYR A 12 -7.185 -1.514 3.548 1.00 0.00 C ATOM 199 CG TYR A 12 -7.691 -0.337 2.740 1.00 0.00 C ATOM 200 CD1 TYR A 12 -8.058 0.833 3.358 1.00 0.00 C ATOM 201 CD2 TYR A 12 -7.822 -0.400 1.359 1.00 0.00 C ATOM 202 CE1 TYR A 12 -8.553 1.890 2.663 1.00 0.00 C ATOM 203 CE2 TYR A 12 -8.309 0.652 0.637 1.00 0.00 C ATOM 204 CZ TYR A 12 -8.688 1.809 1.292 1.00 0.00 C ATOM 205 OH TYR A 12 -9.183 2.884 0.585 1.00 0.00 O ATOM 0 H TYR A 12 -5.577 -2.892 2.227 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.349 -0.431 3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.453 -2.441 3.041 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -7.682 -1.526 4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.950 0.915 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.532 -1.303 0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -8.840 2.792 3.182 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.397 0.581 -0.437 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.383 3.618 1.203 1.00 0.00 H new ATOM 215 N PHE A 13 -5.223 -1.254 6.136 1.00 0.00 N ATOM 216 CA PHE A 13 -4.931 -1.770 7.472 1.00 0.00 C ATOM 217 C PHE A 13 -5.894 -1.186 8.475 1.00 0.00 C ATOM 218 O PHE A 13 -5.880 0.019 8.737 1.00 0.00 O ATOM 219 CB PHE A 13 -3.514 -1.452 7.915 1.00 0.00 C ATOM 220 CG PHE A 13 -3.061 -2.346 9.032 1.00 0.00 C ATOM 221 CD1 PHE A 13 -2.462 -3.551 8.742 1.00 0.00 C ATOM 222 CD2 PHE A 13 -3.214 -1.979 10.365 1.00 0.00 C ATOM 223 CE1 PHE A 13 -2.026 -4.382 9.744 1.00 0.00 C ATOM 224 CE2 PHE A 13 -2.771 -2.796 11.376 1.00 0.00 C ATOM 225 CZ PHE A 13 -2.176 -4.006 11.070 1.00 0.00 C ATOM 0 H PHE A 13 -5.329 -0.241 6.080 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.039 -2.854 7.423 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.837 -1.559 7.068 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.460 -0.412 8.238 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.333 -3.847 7.711 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.687 -1.039 10.608 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.566 -5.328 9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.887 -2.494 12.407 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.830 -4.655 11.860 1.00 0.00 H new ATOM 235 N ASN A 14 -6.707 -2.046 9.059 1.00 0.00 N ATOM 236 CA ASN A 14 -7.644 -1.614 10.055 1.00 0.00 C ATOM 237 C ASN A 14 -7.034 -1.857 11.403 1.00 0.00 C ATOM 238 O ASN A 14 -7.240 -2.912 11.977 1.00 0.00 O ATOM 239 CB ASN A 14 -8.990 -2.337 9.983 1.00 0.00 C ATOM 240 CG ASN A 14 -8.901 -3.806 9.684 1.00 0.00 C ATOM 241 OD1 ASN A 14 -7.844 -4.312 9.370 1.00 0.00 O ATOM 242 ND2 ASN A 14 -10.038 -4.491 9.762 1.00 0.00 N ATOM 0 H ASN A 14 -6.731 -3.045 8.855 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.847 -0.558 9.877 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.509 -2.205 10.932 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.602 -1.861 9.217 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -10.047 -5.489 9.553 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -10.901 -4.018 10.031 1.00 0.00 H new ATOM 249 N ARG A 15 -6.256 -0.905 11.890 1.00 0.00 N ATOM 250 CA ARG A 15 -5.585 -1.064 13.164 1.00 0.00 C ATOM 251 C ARG A 15 -6.541 -1.487 14.295 1.00 0.00 C ATOM 252 O ARG A 15 -6.072 -1.927 15.347 1.00 0.00 O ATOM 253 CB ARG A 15 -4.772 0.184 13.505 1.00 0.00 C ATOM 254 CG ARG A 15 -4.484 0.352 14.982 1.00 0.00 C ATOM 255 CD ARG A 15 -3.405 1.402 15.229 1.00 0.00 C ATOM 256 NE ARG A 15 -2.114 1.022 14.648 1.00 0.00 N ATOM 257 CZ ARG A 15 -1.707 1.369 13.422 1.00 0.00 C ATOM 258 NH1 ARG A 15 -2.476 2.122 12.637 1.00 0.00 N ATOM 259 NH2 ARG A 15 -0.521 0.965 12.980 1.00 0.00 N ATOM 0 H ARG A 15 -6.075 -0.017 11.422 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.884 -1.892 13.065 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.827 0.147 12.964 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.309 1.063 13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.398 0.640 15.501 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.166 -0.602 15.402 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.725 2.354 14.806 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.287 1.553 16.302 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.484 0.455 15.216 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.386 2.441 12.969 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.154 2.380 11.704 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.077 0.392 13.575 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.208 1.228 12.045 1.00 0.00 H new ATOM 273 N ILE A 16 -7.873 -1.447 14.074 1.00 0.00 N ATOM 274 CA ILE A 16 -8.790 -1.907 15.049 1.00 0.00 C ATOM 275 C ILE A 16 -8.626 -3.397 15.186 1.00 0.00 C ATOM 276 O ILE A 16 -8.379 -3.937 16.266 1.00 0.00 O ATOM 277 CB ILE A 16 -10.193 -1.629 14.609 1.00 0.00 C ATOM 278 CG1 ILE A 16 -10.518 -0.148 14.734 1.00 0.00 C ATOM 279 CG2 ILE A 16 -11.079 -2.479 15.456 1.00 0.00 C ATOM 280 CD1 ILE A 16 -9.419 0.753 15.269 1.00 0.00 C ATOM 0 H ILE A 16 -8.302 -1.095 13.218 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.598 -1.399 15.994 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.338 -1.872 13.556 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -10.809 0.220 13.750 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.387 -0.045 15.383 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.119 -2.314 15.175 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.826 -3.529 15.308 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -10.941 -2.216 16.505 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.778 1.781 15.308 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.138 0.428 16.271 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.551 0.697 14.612 1.00 0.00 H new ATOM 292 N THR A 17 -8.733 -4.031 14.033 1.00 0.00 N ATOM 293 CA THR A 17 -8.572 -5.445 13.902 1.00 0.00 C ATOM 294 C THR A 17 -7.219 -5.723 13.306 1.00 0.00 C ATOM 295 O THR A 17 -6.962 -6.809 12.784 1.00 0.00 O ATOM 296 CB THR A 17 -9.716 -5.993 13.071 1.00 0.00 C ATOM 297 OG1 THR A 17 -9.410 -5.986 11.691 1.00 0.00 O ATOM 298 CG2 THR A 17 -10.969 -5.191 13.324 1.00 0.00 C ATOM 0 H THR A 17 -8.938 -3.558 13.153 1.00 0.00 H new ATOM 0 HA THR A 17 -8.609 -5.948 14.869 1.00 0.00 H new ATOM 0 HB THR A 17 -9.878 -7.028 13.372 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.997 -6.615 11.222 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.785 -5.592 12.723 1.00 0.00 H new ATOM 0 HG22 THR A 17 -11.233 -5.251 14.380 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.796 -4.150 13.052 1.00 0.00 H new ATOM 306 N GLY A 18 -6.384 -4.667 13.362 1.00 0.00 N ATOM 307 CA GLY A 18 -5.062 -4.666 12.772 1.00 0.00 C ATOM 308 C GLY A 18 -4.991 -5.559 11.560 1.00 0.00 C ATOM 309 O GLY A 18 -3.965 -6.186 11.293 1.00 0.00 O ATOM 0 H GLY A 18 -6.625 -3.791 13.825 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.790 -3.649 12.491 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.333 -4.998 13.512 1.00 0.00 H new ATOM 313 N LYS A 19 -6.116 -5.647 10.843 1.00 0.00 N ATOM 314 CA LYS A 19 -6.204 -6.494 9.683 1.00 0.00 C ATOM 315 C LYS A 19 -5.687 -5.828 8.434 1.00 0.00 C ATOM 316 O LYS A 19 -5.599 -4.606 8.345 1.00 0.00 O ATOM 317 CB LYS A 19 -7.630 -6.911 9.469 1.00 0.00 C ATOM 318 CG LYS A 19 -7.945 -8.213 10.114 1.00 0.00 C ATOM 319 CD LYS A 19 -9.248 -8.805 9.599 1.00 0.00 C ATOM 320 CE LYS A 19 -9.069 -10.251 9.162 1.00 0.00 C ATOM 321 NZ LYS A 19 -10.345 -10.852 8.681 1.00 0.00 N ATOM 0 H LYS A 19 -6.972 -5.135 11.058 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.574 -7.363 9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.293 -6.143 9.866 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -7.828 -6.982 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.131 -8.914 9.931 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.011 -8.076 11.193 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.007 -8.751 10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.611 -8.212 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.324 -10.300 8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.685 -10.837 9.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.178 -11.837 8.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -11.049 -10.829 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.700 -10.309 7.868 1.00 0.00 H new ATOM 335 N ARG A 20 -5.355 -6.655 7.465 1.00 0.00 N ATOM 336 CA ARG A 20 -4.864 -6.164 6.201 1.00 0.00 C ATOM 337 C ARG A 20 -5.554 -6.810 5.027 1.00 0.00 C ATOM 338 O ARG A 20 -5.832 -8.012 5.020 1.00 0.00 O ATOM 339 CB ARG A 20 -3.370 -6.363 6.077 1.00 0.00 C ATOM 340 CG ARG A 20 -2.939 -7.812 5.875 1.00 0.00 C ATOM 341 CD ARG A 20 -2.821 -8.554 7.198 1.00 0.00 C ATOM 342 NE ARG A 20 -1.547 -8.287 7.869 1.00 0.00 N ATOM 343 CZ ARG A 20 -0.625 -9.217 8.147 1.00 0.00 C ATOM 344 NH1 ARG A 20 -0.810 -10.491 7.803 1.00 0.00 N ATOM 345 NH2 ARG A 20 0.495 -8.868 8.772 1.00 0.00 N ATOM 0 H ARG A 20 -5.417 -7.671 7.532 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.089 -5.098 6.183 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.005 -5.769 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.889 -5.976 6.975 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.661 -8.321 5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.980 -7.838 5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.643 -8.261 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.920 -9.625 7.022 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.348 -7.325 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.664 -10.770 7.320 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.097 -11.187 8.022 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.649 -7.895 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.200 -9.573 8.986 1.00 0.00 H new ATOM 359 N GLN A 21 -5.822 -5.987 4.035 1.00 0.00 N ATOM 360 CA GLN A 21 -6.473 -6.430 2.829 1.00 0.00 C ATOM 361 C GLN A 21 -6.113 -5.501 1.690 1.00 0.00 C ATOM 362 O GLN A 21 -6.002 -4.301 1.896 1.00 0.00 O ATOM 363 CB GLN A 21 -7.972 -6.427 3.009 1.00 0.00 C ATOM 364 CG GLN A 21 -8.418 -5.888 4.338 1.00 0.00 C ATOM 365 CD GLN A 21 -9.871 -6.149 4.624 1.00 0.00 C ATOM 366 OE1 GLN A 21 -10.737 -5.556 3.831 1.00 0.00 O flip ATOM 367 NE2 GLN A 21 -10.213 -6.882 5.552 1.00 0.00 N flip ATOM 0 H GLN A 21 -5.593 -4.993 4.046 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.140 -7.444 2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -8.423 -5.832 2.215 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -8.345 -7.445 2.896 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.813 -6.336 5.126 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -8.236 -4.814 4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.506 -7.321 6.142 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.203 -7.050 5.731 1.00 0.00 H new ATOM 376 N PHE A 22 -5.981 -6.022 0.482 1.00 0.00 N ATOM 377 CA PHE A 22 -5.683 -5.164 -0.668 1.00 0.00 C ATOM 378 C PHE A 22 -6.990 -4.527 -1.175 1.00 0.00 C ATOM 379 O PHE A 22 -7.241 -4.444 -2.379 1.00 0.00 O ATOM 380 CB PHE A 22 -5.049 -5.987 -1.783 1.00 0.00 C ATOM 381 CG PHE A 22 -3.651 -6.456 -1.482 1.00 0.00 C ATOM 382 CD1 PHE A 22 -2.636 -5.547 -1.228 1.00 0.00 C ATOM 383 CD2 PHE A 22 -3.349 -7.807 -1.452 1.00 0.00 C ATOM 384 CE1 PHE A 22 -1.361 -5.976 -0.952 1.00 0.00 C ATOM 385 CE2 PHE A 22 -2.075 -8.238 -1.176 1.00 0.00 C ATOM 386 CZ PHE A 22 -1.084 -7.320 -0.927 1.00 0.00 C ATOM 0 H PHE A 22 -6.072 -7.015 0.267 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.985 -4.383 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.677 -6.855 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.032 -5.391 -2.695 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.850 -4.489 -1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.126 -8.531 -1.648 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.579 -5.258 -0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.853 -9.295 -1.155 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.081 -7.658 -0.710 1.00 0.00 H new ATOM 396 N GLU A 23 -7.840 -4.149 -0.222 1.00 0.00 N ATOM 397 CA GLU A 23 -9.157 -3.597 -0.480 1.00 0.00 C ATOM 398 C GLU A 23 -9.552 -2.562 0.517 1.00 0.00 C ATOM 399 O GLU A 23 -9.071 -2.563 1.641 1.00 0.00 O ATOM 400 CB GLU A 23 -10.167 -4.730 -0.338 1.00 0.00 C ATOM 401 CG GLU A 23 -11.316 -4.420 0.622 1.00 0.00 C ATOM 402 CD GLU A 23 -12.197 -5.622 0.912 1.00 0.00 C ATOM 403 OE1 GLU A 23 -11.653 -6.691 1.264 1.00 0.00 O ATOM 404 OE2 GLU A 23 -13.434 -5.492 0.793 1.00 0.00 O ATOM 0 H GLU A 23 -7.622 -4.222 0.772 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.136 -3.144 -1.471 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.580 -4.961 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.649 -5.624 0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.906 -4.044 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.928 -3.623 0.200 1.00 0.00 H new ATOM 411 N ARG A 24 -10.536 -1.772 0.106 1.00 0.00 N ATOM 412 CA ARG A 24 -11.152 -0.804 0.961 1.00 0.00 C ATOM 413 C ARG A 24 -12.457 -1.423 1.466 1.00 0.00 C ATOM 414 O ARG A 24 -13.519 -1.314 0.850 1.00 0.00 O ATOM 415 CB ARG A 24 -11.375 0.489 0.241 1.00 0.00 C ATOM 416 CG ARG A 24 -12.124 1.448 1.093 1.00 0.00 C ATOM 417 CD ARG A 24 -12.663 2.595 0.270 1.00 0.00 C ATOM 418 NE ARG A 24 -13.775 3.268 0.922 1.00 0.00 N ATOM 419 CZ ARG A 24 -15.034 2.820 0.918 1.00 0.00 C ATOM 420 NH1 ARG A 24 -15.345 1.681 0.303 1.00 0.00 N ATOM 421 NH2 ARG A 24 -15.987 3.511 1.536 1.00 0.00 N ATOM 0 H ARG A 24 -10.921 -1.796 -0.838 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.508 -0.559 1.805 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.416 0.922 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.928 0.306 -0.680 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.947 0.934 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.470 1.833 1.876 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.864 3.313 0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.987 2.221 -0.702 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.581 4.140 1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.620 1.142 -0.170 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.309 1.347 0.305 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.757 4.383 2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -16.948 3.169 1.533 1.00 0.00 H new ATOM 435 N PRO A 25 -12.320 -2.153 2.576 1.00 0.00 N ATOM 436 CA PRO A 25 -13.378 -2.923 3.235 1.00 0.00 C ATOM 437 C PRO A 25 -14.689 -2.215 3.390 1.00 0.00 C ATOM 438 O PRO A 25 -14.765 -0.989 3.501 1.00 0.00 O ATOM 439 CB PRO A 25 -12.813 -3.274 4.586 1.00 0.00 C ATOM 440 CG PRO A 25 -11.431 -2.723 4.622 1.00 0.00 C ATOM 441 CD PRO A 25 -11.053 -2.329 3.245 1.00 0.00 C ATOM 0 HA PRO A 25 -13.628 -3.784 2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -13.421 -2.848 5.384 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.804 -4.354 4.734 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.382 -1.863 5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.735 -3.467 5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.467 -1.410 3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -10.449 -3.096 2.761 1.00 0.00 H new ATOM 449 N SER A 26 -15.724 -3.032 3.386 1.00 0.00 N ATOM 450 CA SER A 26 -17.064 -2.565 3.514 1.00 0.00 C ATOM 451 C SER A 26 -17.362 -2.057 4.889 1.00 0.00 C ATOM 452 O SER A 26 -16.727 -2.401 5.886 1.00 0.00 O ATOM 453 CB SER A 26 -18.068 -3.627 3.130 1.00 0.00 C ATOM 454 OG SER A 26 -18.203 -4.611 4.143 1.00 0.00 O ATOM 0 H SER A 26 -15.643 -4.044 3.292 1.00 0.00 H new ATOM 0 HA SER A 26 -17.157 -1.730 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 26 -19.036 -3.162 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.757 -4.102 2.200 1.00 0.00 H new ATOM 0 HG SER A 26 -18.861 -5.281 3.863 1.00 0.00 H new ATOM 460 N ASP A 27 -18.335 -1.206 4.872 1.00 0.00 N ATOM 461 CA ASP A 27 -18.825 -0.519 6.024 1.00 0.00 C ATOM 462 C ASP A 27 -20.038 -1.214 6.650 1.00 0.00 C ATOM 463 O ASP A 27 -20.169 -1.165 7.891 1.00 0.00 O ATOM 464 CB ASP A 27 -19.130 0.894 5.585 1.00 0.00 C ATOM 465 CG ASP A 27 -20.589 1.294 5.733 1.00 0.00 C ATOM 466 OD1 ASP A 27 -21.362 1.087 4.773 1.00 0.00 O ATOM 467 OD2 ASP A 27 -20.957 1.812 6.808 1.00 0.00 O ATOM 468 OXT ASP A 27 -20.846 -1.800 5.895 1.00 0.00 O ATOM 0 H ASP A 27 -18.833 -0.959 4.017 1.00 0.00 H new ATOM 0 HA ASP A 27 -18.076 -0.520 6.816 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.516 1.583 6.165 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.838 1.009 4.541 1.00 0.00 H new TER 473 ASP A 27 ATOM 474 N LYS B 1 -14.806 7.189 3.736 1.00 0.00 N ATOM 475 CA LYS B 1 -14.062 5.957 3.348 1.00 0.00 C ATOM 476 C LYS B 1 -14.353 4.796 4.300 1.00 0.00 C ATOM 477 O LYS B 1 -15.111 4.945 5.260 1.00 0.00 O ATOM 478 CB LYS B 1 -12.559 6.265 3.332 1.00 0.00 C ATOM 479 CG LYS B 1 -12.004 6.722 4.674 1.00 0.00 C ATOM 480 CD LYS B 1 -11.102 7.935 4.513 1.00 0.00 C ATOM 481 CE LYS B 1 -11.345 8.964 5.598 1.00 0.00 C ATOM 482 NZ LYS B 1 -12.054 10.168 5.080 1.00 0.00 N ATOM 0 H1 LYS B 1 -14.141 7.984 3.822 1.00 0.00 H new ATOM 0 H2 LYS B 1 -15.516 7.409 3.009 1.00 0.00 H new ATOM 0 H3 LYS B 1 -15.281 7.035 4.648 1.00 0.00 H new ATOM 0 HA LYS B 1 -14.392 5.652 2.355 1.00 0.00 H new ATOM 0 HB2 LYS B 1 -12.020 5.373 3.013 1.00 0.00 H new ATOM 0 HB3 LYS B 1 -12.365 7.038 2.588 1.00 0.00 H new ATOM 0 HG2 LYS B 1 -12.827 6.964 5.347 1.00 0.00 H new ATOM 0 HG3 LYS B 1 -11.444 5.908 5.135 1.00 0.00 H new ATOM 0 HD2 LYS B 1 -10.059 7.619 4.539 1.00 0.00 H new ATOM 0 HD3 LYS B 1 -11.273 8.389 3.537 1.00 0.00 H new ATOM 0 HE2 LYS B 1 -11.932 8.514 6.398 1.00 0.00 H new ATOM 0 HE3 LYS B 1 -10.391 9.264 6.032 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 -12.200 10.846 5.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 -11.482 10.613 4.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 -12.976 9.887 4.689 1.00 0.00 H new ATOM 498 N LEU B 2 -13.754 3.640 4.000 1.00 0.00 N ATOM 499 CA LEU B 2 -13.917 2.423 4.777 1.00 0.00 C ATOM 500 C LEU B 2 -13.956 2.635 6.312 1.00 0.00 C ATOM 501 O LEU B 2 -13.600 3.684 6.854 1.00 0.00 O ATOM 502 CB LEU B 2 -12.845 1.409 4.368 1.00 0.00 C ATOM 503 CG LEU B 2 -11.500 1.652 4.963 1.00 0.00 C ATOM 504 CD1 LEU B 2 -10.463 0.835 4.299 1.00 0.00 C ATOM 505 CD2 LEU B 2 -11.146 3.066 4.805 1.00 0.00 C ATOM 0 H LEU B 2 -13.134 3.529 3.197 1.00 0.00 H new ATOM 0 HA LEU B 2 -14.906 2.031 4.540 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -13.179 0.412 4.654 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -12.754 1.415 3.282 1.00 0.00 H new ATOM 0 HG LEU B 2 -11.545 1.378 6.017 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -9.494 1.035 4.756 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -10.705 -0.222 4.411 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -10.424 1.088 3.239 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -10.163 3.246 5.240 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -11.126 3.320 3.745 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -11.886 3.685 5.313 1.00 0.00 H new ATOM 517 N PRO B 3 -14.426 1.578 6.982 1.00 0.00 N ATOM 518 CA PRO B 3 -14.616 1.452 8.437 1.00 0.00 C ATOM 519 C PRO B 3 -13.471 1.937 9.295 1.00 0.00 C ATOM 520 O PRO B 3 -12.344 2.109 8.840 1.00 0.00 O ATOM 521 CB PRO B 3 -14.790 -0.036 8.650 1.00 0.00 C ATOM 522 CG PRO B 3 -15.279 -0.556 7.349 1.00 0.00 C ATOM 523 CD PRO B 3 -14.816 0.383 6.285 1.00 0.00 C ATOM 0 HA PRO B 3 -15.455 2.079 8.740 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -13.849 -0.507 8.934 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -15.503 -0.240 9.449 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -14.894 -1.559 7.168 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -16.367 -0.628 7.350 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -13.980 -0.037 5.725 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -15.610 0.587 5.567 1.00 0.00 H new ATOM 531 N PRO B 4 -13.778 2.144 10.578 1.00 0.00 N ATOM 532 CA PRO B 4 -12.838 2.588 11.592 1.00 0.00 C ATOM 533 C PRO B 4 -11.600 1.759 11.675 1.00 0.00 C ATOM 534 O PRO B 4 -11.588 0.569 11.348 1.00 0.00 O ATOM 535 CB PRO B 4 -13.651 2.477 12.834 1.00 0.00 C ATOM 536 CG PRO B 4 -14.981 2.793 12.355 1.00 0.00 C ATOM 537 CD PRO B 4 -15.098 1.956 11.181 1.00 0.00 C ATOM 0 HA PRO B 4 -12.450 3.586 11.388 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -13.600 1.478 13.266 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -13.318 3.174 13.603 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -15.745 2.561 13.097 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -15.084 3.850 12.111 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -15.292 0.914 11.434 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -15.903 2.279 10.522 1.00 0.00 H new ATOM 545 N GLY B 5 -10.551 2.421 12.103 1.00 0.00 N ATOM 546 CA GLY B 5 -9.278 1.785 12.221 1.00 0.00 C ATOM 547 C GLY B 5 -8.606 1.520 10.877 1.00 0.00 C ATOM 548 O GLY B 5 -7.386 1.361 10.823 1.00 0.00 O ATOM 0 H GLY B 5 -10.563 3.404 12.374 1.00 0.00 H new ATOM 0 HA2 GLY B 5 -8.623 2.409 12.829 1.00 0.00 H new ATOM 0 HA3 GLY B 5 -9.400 0.840 12.750 1.00 0.00 H new ATOM 552 N TRP B 6 -9.393 1.470 9.788 1.00 0.00 N ATOM 553 CA TRP B 6 -8.859 1.215 8.467 1.00 0.00 C ATOM 554 C TRP B 6 -8.159 2.429 7.907 1.00 0.00 C ATOM 555 O TRP B 6 -8.623 3.560 8.068 1.00 0.00 O ATOM 556 CB TRP B 6 -9.967 0.877 7.482 1.00 0.00 C ATOM 557 CG TRP B 6 -10.391 -0.526 7.422 1.00 0.00 C ATOM 558 CD1 TRP B 6 -11.636 -0.944 7.610 1.00 0.00 C ATOM 559 CD2 TRP B 6 -9.627 -1.658 7.092 1.00 0.00 C ATOM 560 NE1 TRP B 6 -11.703 -2.307 7.543 1.00 0.00 N ATOM 561 CE2 TRP B 6 -10.466 -2.779 7.206 1.00 0.00 C ATOM 562 CE3 TRP B 6 -8.312 -1.841 6.748 1.00 0.00 C ATOM 563 CZ2 TRP B 6 -9.993 -4.076 6.978 1.00 0.00 C ATOM 564 CZ3 TRP B 6 -7.856 -3.103 6.510 1.00 0.00 C ATOM 565 CH2 TRP B 6 -8.671 -4.197 6.628 1.00 0.00 C ATOM 0 H TRP B 6 -10.404 1.605 9.812 1.00 0.00 H new ATOM 0 HA TRP B 6 -8.164 0.383 8.584 1.00 0.00 H new ATOM 0 HB2 TRP B 6 -10.838 1.485 7.728 1.00 0.00 H new ATOM 0 HB3 TRP B 6 -9.640 1.176 6.486 1.00 0.00 H new ATOM 0 HD1 TRP B 6 -12.481 -0.296 7.791 1.00 0.00 H new ATOM 0 HE1 TRP B 6 -12.533 -2.874 7.715 1.00 0.00 H new ATOM 0 HE3 TRP B 6 -7.646 -0.995 6.667 1.00 0.00 H new ATOM 0 HZ2 TRP B 6 -10.636 -4.939 7.073 1.00 0.00 H new ATOM 0 HZ3 TRP B 6 -6.825 -3.244 6.221 1.00 0.00 H new ATOM 0 HH2 TRP B 6 -8.264 -5.180 6.441 1.00 0.00 H new ATOM 576 N GLU B 7 -7.086 2.179 7.186 1.00 0.00 N ATOM 577 CA GLU B 7 -6.365 3.239 6.526 1.00 0.00 C ATOM 578 C GLU B 7 -5.602 2.688 5.348 1.00 0.00 C ATOM 579 O GLU B 7 -4.568 2.033 5.503 1.00 0.00 O ATOM 580 CB GLU B 7 -5.410 3.983 7.454 1.00 0.00 C ATOM 581 CG GLU B 7 -5.811 3.977 8.923 1.00 0.00 C ATOM 582 CD GLU B 7 -4.641 4.250 9.847 1.00 0.00 C ATOM 583 OE1 GLU B 7 -4.367 5.436 10.127 1.00 0.00 O ATOM 584 OE2 GLU B 7 -3.997 3.276 10.292 1.00 0.00 O ATOM 0 H GLU B 7 -6.696 1.247 7.044 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.110 3.961 6.190 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -4.418 3.541 7.361 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -5.331 5.017 7.118 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -6.583 4.729 9.088 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -6.249 3.010 9.173 1.00 0.00 H new ATOM 591 N LYS B 8 -6.137 2.960 4.172 1.00 0.00 N ATOM 592 CA LYS B 8 -5.535 2.506 2.921 1.00 0.00 C ATOM 593 C LYS B 8 -4.015 2.734 2.968 1.00 0.00 C ATOM 594 O LYS B 8 -3.564 3.819 3.344 1.00 0.00 O ATOM 595 CB LYS B 8 -6.123 3.302 1.723 1.00 0.00 C ATOM 596 CG LYS B 8 -5.812 2.685 0.361 1.00 0.00 C ATOM 597 CD LYS B 8 -6.411 3.508 -0.770 1.00 0.00 C ATOM 598 CE LYS B 8 -6.251 2.817 -2.117 1.00 0.00 C ATOM 599 NZ LYS B 8 -7.297 1.780 -2.345 1.00 0.00 N ATOM 0 H LYS B 8 -6.995 3.498 4.052 1.00 0.00 H new ATOM 0 HA LYS B 8 -5.751 1.445 2.794 1.00 0.00 H new ATOM 0 HB2 LYS B 8 -7.204 3.372 1.841 1.00 0.00 H new ATOM 0 HB3 LYS B 8 -5.733 4.319 1.748 1.00 0.00 H new ATOM 0 HG2 LYS B 8 -4.732 2.615 0.230 1.00 0.00 H new ATOM 0 HG3 LYS B 8 -6.205 1.669 0.322 1.00 0.00 H new ATOM 0 HD2 LYS B 8 -7.469 3.681 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS B 8 -5.929 4.485 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS B 8 -6.299 3.560 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS B 8 -5.265 2.355 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 -7.394 1.603 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 -7.023 0.899 -1.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 -8.205 2.113 -1.963 1.00 0.00 H new ATOM 613 N ARG B 9 -3.231 1.721 2.600 1.00 0.00 N ATOM 614 CA ARG B 9 -1.771 1.844 2.624 1.00 0.00 C ATOM 615 C ARG B 9 -1.155 1.448 1.283 1.00 0.00 C ATOM 616 O ARG B 9 -0.916 0.267 1.030 1.00 0.00 O ATOM 617 CB ARG B 9 -1.192 0.976 3.746 1.00 0.00 C ATOM 618 CG ARG B 9 0.070 1.546 4.372 1.00 0.00 C ATOM 619 CD ARG B 9 0.312 0.973 5.760 1.00 0.00 C ATOM 620 NE ARG B 9 -0.781 1.198 6.647 1.00 0.00 N ATOM 621 CZ ARG B 9 -0.878 2.242 7.441 1.00 0.00 C ATOM 622 NH1 ARG B 9 -0.070 3.294 7.327 1.00 0.00 N ATOM 623 NH2 ARG B 9 -1.803 2.206 8.343 1.00 0.00 N ATOM 0 H ARG B 9 -3.576 0.814 2.285 1.00 0.00 H new ATOM 0 HA ARG B 9 -1.524 2.889 2.810 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.947 0.851 4.522 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -0.974 -0.016 3.350 1.00 0.00 H new ATOM 0 HG2 ARG B 9 0.925 1.327 3.733 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -0.012 2.631 4.434 1.00 0.00 H new ATOM 0 HD2 ARG B 9 0.494 -0.099 5.679 1.00 0.00 H new ATOM 0 HD3 ARG B 9 1.213 1.419 6.180 1.00 0.00 H new ATOM 0 HE ARG B 9 -1.532 0.508 6.667 1.00 0.00 H new ATOM 0 HH11 ARG B 9 0.652 3.307 6.607 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -0.173 4.087 7.960 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -2.415 1.393 8.413 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -1.921 2.990 8.984 1.00 0.00 H new ATOM 637 N CYS B 10 -0.896 2.442 0.426 1.00 0.00 N ATOM 638 CA CYS B 10 -0.305 2.184 -0.892 1.00 0.00 C ATOM 639 C CYS B 10 1.169 2.568 -0.931 1.00 0.00 C ATOM 640 O CYS B 10 1.520 3.720 -1.193 1.00 0.00 O ATOM 641 CB CYS B 10 -1.072 2.916 -2.002 1.00 0.00 C ATOM 642 SG CYS B 10 -2.799 3.320 -1.577 1.00 0.00 S ATOM 0 H CYS B 10 -1.085 3.426 0.619 1.00 0.00 H new ATOM 0 HA CYS B 10 -0.382 1.111 -1.069 1.00 0.00 H new ATOM 0 HB2 CYS B 10 -0.544 3.838 -2.245 1.00 0.00 H new ATOM 0 HB3 CYS B 10 -1.066 2.299 -2.900 1.00 0.00 H new ATOM 0 HG CYS B 10 -3.457 2.223 -1.344 1.00 0.00 H new ATOM 647 N PHE B 11 2.028 1.579 -0.689 1.00 0.00 N ATOM 648 CA PHE B 11 3.469 1.788 -0.718 1.00 0.00 C ATOM 649 C PHE B 11 4.059 1.168 -1.983 1.00 0.00 C ATOM 650 O PHE B 11 3.670 0.067 -2.380 1.00 0.00 O ATOM 651 CB PHE B 11 4.145 1.161 0.518 1.00 0.00 C ATOM 652 CG PHE B 11 4.140 -0.344 0.515 1.00 0.00 C ATOM 653 CD1 PHE B 11 5.101 -1.051 -0.209 1.00 0.00 C ATOM 654 CD2 PHE B 11 3.180 -1.057 1.231 1.00 0.00 C ATOM 655 CE1 PHE B 11 5.103 -2.440 -0.218 1.00 0.00 C ATOM 656 CE2 PHE B 11 3.179 -2.447 1.224 1.00 0.00 C ATOM 657 CZ PHE B 11 4.141 -3.139 0.499 1.00 0.00 C ATOM 0 H PHE B 11 1.747 0.623 -0.470 1.00 0.00 H new ATOM 0 HA PHE B 11 3.654 2.862 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.176 1.512 0.574 1.00 0.00 H new ATOM 0 HB3 PHE B 11 3.639 1.515 1.416 1.00 0.00 H new ATOM 0 HD1 PHE B 11 5.851 -0.512 -0.768 1.00 0.00 H new ATOM 0 HD2 PHE B 11 2.430 -0.524 1.797 1.00 0.00 H new ATOM 0 HE1 PHE B 11 5.852 -2.976 -0.782 1.00 0.00 H new ATOM 0 HE2 PHE B 11 2.430 -2.989 1.782 1.00 0.00 H new ATOM 0 HZ PHE B 11 4.141 -4.219 0.493 1.00 0.00 H new ATOM 667 N TYR B 12 5.022 1.848 -2.592 1.00 0.00 N ATOM 668 CA TYR B 12 5.682 1.317 -3.769 1.00 0.00 C ATOM 669 C TYR B 12 6.820 0.431 -3.311 1.00 0.00 C ATOM 670 O TYR B 12 7.489 0.751 -2.325 1.00 0.00 O ATOM 671 CB TYR B 12 6.223 2.430 -4.668 1.00 0.00 C ATOM 672 CG TYR B 12 5.219 2.824 -5.722 1.00 0.00 C ATOM 673 CD1 TYR B 12 4.256 3.804 -5.463 1.00 0.00 C ATOM 674 CD2 TYR B 12 5.203 2.212 -6.976 1.00 0.00 C ATOM 675 CE1 TYR B 12 3.330 4.164 -6.400 1.00 0.00 C ATOM 676 CE2 TYR B 12 4.281 2.569 -7.914 1.00 0.00 C ATOM 677 CZ TYR B 12 3.337 3.547 -7.638 1.00 0.00 C ATOM 678 OH TYR B 12 2.408 3.899 -8.590 1.00 0.00 O ATOM 0 H TYR B 12 5.359 2.762 -2.290 1.00 0.00 H new ATOM 0 HA TYR B 12 4.958 0.751 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR B 12 6.475 3.299 -4.061 1.00 0.00 H new ATOM 0 HB3 TYR B 12 7.144 2.097 -5.147 1.00 0.00 H new ATOM 0 HD1 TYR B 12 4.244 4.288 -4.498 1.00 0.00 H new ATOM 0 HD2 TYR B 12 5.930 1.447 -7.206 1.00 0.00 H new ATOM 0 HE1 TYR B 12 2.597 4.925 -6.176 1.00 0.00 H new ATOM 0 HE2 TYR B 12 4.285 2.086 -8.880 1.00 0.00 H new ATOM 0 HH TYR B 12 2.391 3.221 -9.297 1.00 0.00 H new ATOM 688 N PHE B 13 7.057 -0.664 -4.011 1.00 0.00 N ATOM 689 CA PHE B 13 8.153 -1.551 -3.643 1.00 0.00 C ATOM 690 C PHE B 13 9.100 -1.702 -4.797 1.00 0.00 C ATOM 691 O PHE B 13 8.730 -2.210 -5.856 1.00 0.00 O ATOM 692 CB PHE B 13 7.655 -2.924 -3.229 1.00 0.00 C ATOM 693 CG PHE B 13 8.676 -3.691 -2.441 1.00 0.00 C ATOM 694 CD1 PHE B 13 8.800 -3.466 -1.083 1.00 0.00 C ATOM 695 CD2 PHE B 13 9.492 -4.656 -3.041 1.00 0.00 C ATOM 696 CE1 PHE B 13 9.713 -4.172 -0.327 1.00 0.00 C ATOM 697 CE2 PHE B 13 10.401 -5.379 -2.294 1.00 0.00 C ATOM 698 CZ PHE B 13 10.516 -5.138 -0.929 1.00 0.00 C ATOM 0 H PHE B 13 6.517 -0.960 -4.824 1.00 0.00 H new ATOM 0 HA PHE B 13 8.663 -1.100 -2.792 1.00 0.00 H new ATOM 0 HB2 PHE B 13 6.749 -2.814 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE B 13 7.385 -3.493 -4.119 1.00 0.00 H new ATOM 0 HD1 PHE B 13 8.173 -2.727 -0.607 1.00 0.00 H new ATOM 0 HD2 PHE B 13 9.410 -4.838 -4.102 1.00 0.00 H new ATOM 0 HE1 PHE B 13 9.805 -3.976 0.731 1.00 0.00 H new ATOM 0 HE2 PHE B 13 11.019 -6.128 -2.767 1.00 0.00 H new ATOM 0 HZ PHE B 13 11.225 -5.698 -0.338 1.00 0.00 H new ATOM 708 N ASN B 14 10.330 -1.279 -4.584 1.00 0.00 N ATOM 709 CA ASN B 14 11.322 -1.397 -5.608 1.00 0.00 C ATOM 710 C ASN B 14 12.094 -2.665 -5.362 1.00 0.00 C ATOM 711 O ASN B 14 13.145 -2.619 -4.749 1.00 0.00 O ATOM 712 CB ASN B 14 12.302 -0.215 -5.661 1.00 0.00 C ATOM 713 CG ASN B 14 12.553 0.485 -4.343 1.00 0.00 C ATOM 714 OD1 ASN B 14 12.139 0.022 -3.297 1.00 0.00 O ATOM 715 ND2 ASN B 14 13.261 1.614 -4.394 1.00 0.00 N ATOM 0 H ASN B 14 10.655 -0.855 -3.715 1.00 0.00 H new ATOM 0 HA ASN B 14 10.803 -1.407 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN B 14 13.255 -0.574 -6.049 1.00 0.00 H new ATOM 0 HB3 ASN B 14 11.923 0.517 -6.374 1.00 0.00 H new ATOM 0 HD21 ASN B 14 13.473 2.122 -3.535 1.00 0.00 H new ATOM 0 HD22 ASN B 14 13.590 1.969 -5.292 1.00 0.00 H new ATOM 722 N ARG B 15 11.553 -3.795 -5.801 1.00 0.00 N ATOM 723 CA ARG B 15 12.195 -5.083 -5.577 1.00 0.00 C ATOM 724 C ARG B 15 13.691 -5.074 -5.938 1.00 0.00 C ATOM 725 O ARG B 15 14.430 -5.942 -5.467 1.00 0.00 O ATOM 726 CB ARG B 15 11.424 -6.214 -6.268 1.00 0.00 C ATOM 727 CG ARG B 15 12.290 -7.369 -6.733 1.00 0.00 C ATOM 728 CD ARG B 15 11.453 -8.606 -7.033 1.00 0.00 C ATOM 729 NE ARG B 15 10.811 -9.139 -5.830 1.00 0.00 N ATOM 730 CZ ARG B 15 11.443 -9.852 -4.892 1.00 0.00 C ATOM 731 NH1 ARG B 15 12.739 -10.133 -5.012 1.00 0.00 N ATOM 732 NH2 ARG B 15 10.774 -10.288 -3.830 1.00 0.00 N ATOM 0 H ARG B 15 10.672 -3.845 -6.313 1.00 0.00 H new ATOM 0 HA ARG B 15 12.159 -5.278 -4.505 1.00 0.00 H new ATOM 0 HB2 ARG B 15 10.669 -6.596 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG B 15 10.894 -5.804 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG B 15 12.841 -7.076 -7.626 1.00 0.00 H new ATOM 0 HG3 ARG B 15 13.028 -7.604 -5.966 1.00 0.00 H new ATOM 0 HD2 ARG B 15 10.690 -8.357 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG B 15 12.087 -9.374 -7.476 1.00 0.00 H new ATOM 0 HE ARG B 15 9.816 -8.954 -5.699 1.00 0.00 H new ATOM 0 HH11 ARG B 15 13.259 -9.804 -5.825 1.00 0.00 H new ATOM 0 HH12 ARG B 15 13.212 -10.678 -4.291 1.00 0.00 H new ATOM 0 HH21 ARG B 15 9.781 -10.079 -3.732 1.00 0.00 H new ATOM 0 HH22 ARG B 15 11.254 -10.832 -3.113 1.00 0.00 H new ATOM 746 N ILE B 16 14.174 -4.060 -6.687 1.00 0.00 N ATOM 747 CA ILE B 16 15.561 -3.953 -6.966 1.00 0.00 C ATOM 748 C ILE B 16 16.278 -3.673 -5.673 1.00 0.00 C ATOM 749 O ILE B 16 17.198 -4.381 -5.259 1.00 0.00 O ATOM 750 CB ILE B 16 15.809 -2.813 -7.900 1.00 0.00 C ATOM 751 CG1 ILE B 16 15.399 -3.190 -9.315 1.00 0.00 C ATOM 752 CG2 ILE B 16 17.259 -2.479 -7.793 1.00 0.00 C ATOM 753 CD1 ILE B 16 14.959 -4.628 -9.534 1.00 0.00 C ATOM 0 H ILE B 16 13.599 -3.322 -7.094 1.00 0.00 H new ATOM 0 HA ILE B 16 15.916 -4.877 -7.422 1.00 0.00 H new ATOM 0 HB ILE B 16 15.213 -1.938 -7.640 1.00 0.00 H new ATOM 0 HG12 ILE B 16 14.584 -2.534 -9.620 1.00 0.00 H new ATOM 0 HG13 ILE B 16 16.239 -2.985 -9.979 1.00 0.00 H new ATOM 0 HG21 ILE B 16 17.491 -1.648 -8.459 1.00 0.00 H new ATOM 0 HG22 ILE B 16 17.493 -2.197 -6.766 1.00 0.00 H new ATOM 0 HG23 ILE B 16 17.854 -3.348 -8.075 1.00 0.00 H new ATOM 0 HD11 ILE B 16 14.693 -4.772 -10.581 1.00 0.00 H new ATOM 0 HD12 ILE B 16 15.774 -5.302 -9.271 1.00 0.00 H new ATOM 0 HD13 ILE B 16 14.094 -4.843 -8.907 1.00 0.00 H new ATOM 765 N THR B 17 15.771 -2.640 -5.029 1.00 0.00 N ATOM 766 CA THR B 17 16.238 -2.206 -3.749 1.00 0.00 C ATOM 767 C THR B 17 15.374 -2.821 -2.680 1.00 0.00 C ATOM 768 O THR B 17 15.443 -2.436 -1.512 1.00 0.00 O ATOM 769 CB THR B 17 16.212 -0.694 -3.710 1.00 0.00 C ATOM 770 OG1 THR B 17 14.928 -0.211 -3.368 1.00 0.00 O ATOM 771 CG2 THR B 17 16.624 -0.142 -5.049 1.00 0.00 C ATOM 0 H THR B 17 15.007 -2.074 -5.398 1.00 0.00 H new ATOM 0 HA THR B 17 17.264 -2.528 -3.571 1.00 0.00 H new ATOM 0 HB THR B 17 16.914 -0.363 -2.945 1.00 0.00 H new ATOM 0 HG1 THR B 17 14.993 0.730 -3.101 1.00 0.00 H new ATOM 0 HG21 THR B 17 16.604 0.947 -5.015 1.00 0.00 H new ATOM 0 HG22 THR B 17 17.633 -0.479 -5.287 1.00 0.00 H new ATOM 0 HG23 THR B 17 15.934 -0.494 -5.816 1.00 0.00 H new ATOM 779 N GLY B 18 14.519 -3.752 -3.146 1.00 0.00 N ATOM 780 CA GLY B 18 13.532 -4.406 -2.320 1.00 0.00 C ATOM 781 C GLY B 18 13.101 -3.523 -1.182 1.00 0.00 C ATOM 782 O GLY B 18 12.869 -3.994 -0.067 1.00 0.00 O ATOM 0 H GLY B 18 14.508 -4.062 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY B 18 12.666 -4.671 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY B 18 13.942 -5.336 -1.926 1.00 0.00 H new ATOM 786 N LYS B 19 13.031 -2.217 -1.464 1.00 0.00 N ATOM 787 CA LYS B 19 12.661 -1.259 -0.453 1.00 0.00 C ATOM 788 C LYS B 19 11.263 -0.715 -0.695 1.00 0.00 C ATOM 789 O LYS B 19 10.650 -0.972 -1.731 1.00 0.00 O ATOM 790 CB LYS B 19 13.722 -0.163 -0.362 1.00 0.00 C ATOM 791 CG LYS B 19 13.403 1.056 -1.182 1.00 0.00 C ATOM 792 CD LYS B 19 13.900 2.334 -0.523 1.00 0.00 C ATOM 793 CE LYS B 19 13.003 2.754 0.632 1.00 0.00 C ATOM 794 NZ LYS B 19 13.779 3.018 1.876 1.00 0.00 N ATOM 0 H LYS B 19 13.227 -1.816 -2.381 1.00 0.00 H new ATOM 0 HA LYS B 19 12.623 -1.756 0.517 1.00 0.00 H new ATOM 0 HB2 LYS B 19 13.839 0.132 0.681 1.00 0.00 H new ATOM 0 HB3 LYS B 19 14.680 -0.569 -0.688 1.00 0.00 H new ATOM 0 HG2 LYS B 19 13.856 0.958 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS B 19 12.325 1.121 -1.331 1.00 0.00 H new ATOM 0 HD2 LYS B 19 14.917 2.185 -0.159 1.00 0.00 H new ATOM 0 HD3 LYS B 19 13.940 3.134 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.449 3.651 0.353 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.268 1.972 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 13.129 3.301 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.287 2.156 2.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.463 3.782 1.703 1.00 0.00 H new ATOM 808 N ARG B 20 10.737 -0.016 0.291 1.00 0.00 N ATOM 809 CA ARG B 20 9.393 0.516 0.192 1.00 0.00 C ATOM 810 C ARG B 20 9.300 1.990 0.501 1.00 0.00 C ATOM 811 O ARG B 20 10.008 2.520 1.360 1.00 0.00 O ATOM 812 CB ARG B 20 8.467 -0.244 1.125 1.00 0.00 C ATOM 813 CG ARG B 20 8.619 0.134 2.592 1.00 0.00 C ATOM 814 CD ARG B 20 7.716 -0.706 3.482 1.00 0.00 C ATOM 815 NE ARG B 20 8.231 -0.807 4.848 1.00 0.00 N ATOM 816 CZ ARG B 20 8.119 0.158 5.766 1.00 0.00 C ATOM 817 NH1 ARG B 20 7.503 1.303 5.476 1.00 0.00 N ATOM 818 NH2 ARG B 20 8.625 -0.024 6.981 1.00 0.00 N ATOM 0 H ARG B 20 11.217 0.196 1.166 1.00 0.00 H new ATOM 0 HA ARG B 20 9.093 0.388 -0.848 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.436 -0.067 0.820 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.653 -1.312 1.015 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.657 0.001 2.897 1.00 0.00 H new ATOM 0 HG3 ARG B 20 8.381 1.189 2.723 1.00 0.00 H new ATOM 0 HD2 ARG B 20 6.718 -0.268 3.502 1.00 0.00 H new ATOM 0 HD3 ARG B 20 7.617 -1.705 3.057 1.00 0.00 H new ATOM 0 HE ARG B 20 8.706 -1.669 5.117 1.00 0.00 H new ATOM 0 HH11 ARG B 20 7.111 1.450 4.546 1.00 0.00 H new ATOM 0 HH12 ARG B 20 7.423 2.033 6.184 1.00 0.00 H new ATOM 0 HH21 ARG B 20 9.097 -0.898 7.211 1.00 0.00 H new ATOM 0 HH22 ARG B 20 8.541 0.711 7.684 1.00 0.00 H new ATOM 832 N GLN B 21 8.380 2.633 -0.200 1.00 0.00 N ATOM 833 CA GLN B 21 8.118 4.037 -0.018 1.00 0.00 C ATOM 834 C GLN B 21 6.632 4.304 -0.192 1.00 0.00 C ATOM 835 O GLN B 21 5.982 3.657 -1.010 1.00 0.00 O ATOM 836 CB GLN B 21 8.888 4.874 -1.015 1.00 0.00 C ATOM 837 CG GLN B 21 9.598 4.078 -2.071 1.00 0.00 C ATOM 838 CD GLN B 21 10.567 4.904 -2.879 1.00 0.00 C ATOM 839 OE1 GLN B 21 10.100 5.487 -3.967 1.00 0.00 O flip ATOM 840 NE2 GLN B 21 11.740 5.017 -2.524 1.00 0.00 N flip ATOM 0 H GLN B 21 7.798 2.189 -0.910 1.00 0.00 H new ATOM 0 HA GLN B 21 8.438 4.312 0.987 1.00 0.00 H new ATOM 0 HB2 GLN B 21 8.199 5.566 -1.500 1.00 0.00 H new ATOM 0 HB3 GLN B 21 9.620 5.477 -0.477 1.00 0.00 H new ATOM 0 HG2 GLN B 21 10.136 3.256 -1.599 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.861 3.634 -2.740 1.00 0.00 H new ATOM 0 HE21 GLN B 21 12.063 4.551 -1.676 1.00 0.00 H new ATOM 0 HE22 GLN B 21 12.389 5.577 -3.077 1.00 0.00 H new ATOM 849 N PHE B 22 6.098 5.286 0.521 1.00 0.00 N ATOM 850 CA PHE B 22 4.684 5.648 0.363 1.00 0.00 C ATOM 851 C PHE B 22 4.570 6.662 -0.780 1.00 0.00 C ATOM 852 O PHE B 22 3.851 7.661 -0.695 1.00 0.00 O ATOM 853 CB PHE B 22 4.131 6.249 1.652 1.00 0.00 C ATOM 854 CG PHE B 22 3.661 5.228 2.654 1.00 0.00 C ATOM 855 CD1 PHE B 22 4.317 4.005 2.795 1.00 0.00 C ATOM 856 CD2 PHE B 22 2.558 5.485 3.465 1.00 0.00 C ATOM 857 CE1 PHE B 22 3.884 3.071 3.715 1.00 0.00 C ATOM 858 CE2 PHE B 22 2.123 4.552 4.386 1.00 0.00 C ATOM 859 CZ PHE B 22 2.787 3.347 4.508 1.00 0.00 C ATOM 0 H PHE B 22 6.608 5.843 1.207 1.00 0.00 H new ATOM 0 HA PHE B 22 4.103 4.755 0.135 1.00 0.00 H new ATOM 0 HB2 PHE B 22 4.902 6.866 2.113 1.00 0.00 H new ATOM 0 HB3 PHE B 22 3.300 6.909 1.405 1.00 0.00 H new ATOM 0 HD1 PHE B 22 5.175 3.786 2.176 1.00 0.00 H new ATOM 0 HD2 PHE B 22 2.036 6.426 3.372 1.00 0.00 H new ATOM 0 HE1 PHE B 22 4.401 2.128 3.814 1.00 0.00 H new ATOM 0 HE2 PHE B 22 1.266 4.764 5.009 1.00 0.00 H new ATOM 0 HZ PHE B 22 2.447 2.617 5.227 1.00 0.00 H new ATOM 869 N GLU B 23 5.352 6.402 -1.822 1.00 0.00 N ATOM 870 CA GLU B 23 5.463 7.252 -2.989 1.00 0.00 C ATOM 871 C GLU B 23 5.442 6.489 -4.252 1.00 0.00 C ATOM 872 O GLU B 23 5.875 5.349 -4.292 1.00 0.00 O ATOM 873 CB GLU B 23 6.819 7.958 -2.954 1.00 0.00 C ATOM 874 CG GLU B 23 7.655 7.753 -4.224 1.00 0.00 C ATOM 875 CD GLU B 23 9.016 8.424 -4.156 1.00 0.00 C ATOM 876 OE1 GLU B 23 9.713 8.259 -3.132 1.00 0.00 O ATOM 877 OE2 GLU B 23 9.384 9.115 -5.129 1.00 0.00 O ATOM 0 H GLU B 23 5.940 5.570 -1.874 1.00 0.00 H new ATOM 0 HA GLU B 23 4.615 7.936 -2.960 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.659 9.026 -2.804 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.385 7.597 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.791 6.685 -4.394 1.00 0.00 H new ATOM 0 HG3 GLU B 23 7.106 8.144 -5.080 1.00 0.00 H new ATOM 884 N ARG B 24 5.076 7.210 -5.299 1.00 0.00 N ATOM 885 CA ARG B 24 5.146 6.694 -6.621 1.00 0.00 C ATOM 886 C ARG B 24 6.447 7.207 -7.215 1.00 0.00 C ATOM 887 O ARG B 24 6.515 8.296 -7.790 1.00 0.00 O ATOM 888 CB ARG B 24 3.969 7.099 -7.454 1.00 0.00 C ATOM 889 CG ARG B 24 4.178 6.709 -8.878 1.00 0.00 C ATOM 890 CD ARG B 24 2.865 6.593 -9.621 1.00 0.00 C ATOM 891 NE ARG B 24 2.932 5.628 -10.713 1.00 0.00 N ATOM 892 CZ ARG B 24 3.608 5.820 -11.851 1.00 0.00 C ATOM 893 NH1 ARG B 24 4.262 6.959 -12.068 1.00 0.00 N ATOM 894 NH2 ARG B 24 3.626 4.869 -12.779 1.00 0.00 N ATOM 0 H ARG B 24 4.725 8.166 -5.238 1.00 0.00 H new ATOM 0 HA ARG B 24 5.122 5.604 -6.602 1.00 0.00 H new ATOM 0 HB2 ARG B 24 3.065 6.627 -7.070 1.00 0.00 H new ATOM 0 HB3 ARG B 24 3.820 8.176 -7.384 1.00 0.00 H new ATOM 0 HG2 ARG B 24 4.811 7.448 -9.369 1.00 0.00 H new ATOM 0 HG3 ARG B 24 4.707 5.757 -8.921 1.00 0.00 H new ATOM 0 HD2 ARG B 24 2.081 6.297 -8.925 1.00 0.00 H new ATOM 0 HD3 ARG B 24 2.587 7.569 -10.018 1.00 0.00 H new ATOM 0 HE ARG B 24 2.429 4.747 -10.601 1.00 0.00 H new ATOM 0 HH11 ARG B 24 4.251 7.696 -11.363 1.00 0.00 H new ATOM 0 HH12 ARG B 24 4.774 7.095 -12.939 1.00 0.00 H new ATOM 0 HH21 ARG B 24 3.125 3.994 -12.623 1.00 0.00 H new ATOM 0 HH22 ARG B 24 4.141 5.014 -13.648 1.00 0.00 H new ATOM 908 N PRO B 25 7.501 6.421 -7.005 1.00 0.00 N ATOM 909 CA PRO B 25 8.874 6.705 -7.419 1.00 0.00 C ATOM 910 C PRO B 25 9.003 7.407 -8.748 1.00 0.00 C ATOM 911 O PRO B 25 8.131 7.317 -9.614 1.00 0.00 O ATOM 912 CB PRO B 25 9.534 5.335 -7.413 1.00 0.00 C ATOM 913 CG PRO B 25 8.476 4.370 -6.988 1.00 0.00 C ATOM 914 CD PRO B 25 7.444 5.165 -6.286 1.00 0.00 C ATOM 0 HA PRO B 25 9.349 7.419 -6.746 1.00 0.00 H new ATOM 0 HB2 PRO B 25 9.918 5.083 -8.401 1.00 0.00 H new ATOM 0 HB3 PRO B 25 10.381 5.313 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO B 25 8.051 3.856 -7.850 1.00 0.00 H new ATOM 0 HG3 PRO B 25 8.890 3.604 -6.332 1.00 0.00 H new ATOM 0 HD2 PRO B 25 6.459 4.702 -6.348 1.00 0.00 H new ATOM 0 HD3 PRO B 25 7.672 5.289 -5.227 1.00 0.00 H new ATOM 922 N SER B 26 10.118 8.134 -8.850 1.00 0.00 N ATOM 923 CA SER B 26 10.490 8.939 -10.015 1.00 0.00 C ATOM 924 C SER B 26 9.825 8.499 -11.274 1.00 0.00 C ATOM 925 O SER B 26 9.282 9.306 -12.032 1.00 0.00 O ATOM 926 CB SER B 26 11.982 8.890 -10.202 1.00 0.00 C ATOM 927 OG SER B 26 12.390 9.589 -11.367 1.00 0.00 O ATOM 0 H SER B 26 10.808 8.180 -8.100 1.00 0.00 H new ATOM 0 HA SER B 26 10.152 9.956 -9.814 1.00 0.00 H new ATOM 0 HB2 SER B 26 12.472 9.321 -9.329 1.00 0.00 H new ATOM 0 HB3 SER B 26 12.306 7.851 -10.269 1.00 0.00 H new ATOM 0 HG SER B 26 13.365 9.537 -11.455 1.00 0.00 H new ATOM 933 N ASP B 27 9.839 7.211 -11.444 1.00 0.00 N ATOM 934 CA ASP B 27 9.202 6.577 -12.568 1.00 0.00 C ATOM 935 C ASP B 27 9.902 6.861 -13.906 1.00 0.00 C ATOM 936 O ASP B 27 10.493 7.952 -14.062 1.00 0.00 O ATOM 937 CB ASP B 27 7.773 7.044 -12.544 1.00 0.00 C ATOM 938 CG ASP B 27 7.248 7.560 -13.874 1.00 0.00 C ATOM 939 OD1 ASP B 27 7.483 8.746 -14.188 1.00 0.00 O ATOM 940 OD2 ASP B 27 6.597 6.779 -14.598 1.00 0.00 O ATOM 941 OXT ASP B 27 9.853 5.979 -14.789 1.00 0.00 O ATOM 0 H ASP B 27 10.296 6.562 -10.803 1.00 0.00 H new ATOM 0 HA ASP B 27 9.263 5.492 -12.482 1.00 0.00 H new ATOM 0 HB2 ASP B 27 7.141 6.219 -12.216 1.00 0.00 H new ATOM 0 HB3 ASP B 27 7.676 7.835 -11.800 1.00 0.00 H new TER 946 ASP B 27